(1-{2-[5-(5-ethylpyridin-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-3-yl)methanol

• ChemBase ID: 767460
• Molecular Formular: C24H30N4O
• Molecular Mass: 390.5212
• Monoisotopic Mass: 390.2419616
• SMILES: c1(c(ncn1CCN1CC(CO)CCC1)c1ccccc1)c1ncc(cc1)CC
• Canonical SMILES: OCC1CCCN(C1)CCn1cnc(c1c1ccc(cn1)CC)c1ccccc1
• InChI: InChI=1S/C24H30N4O/c1-2-19-10-11-22(25-15-19)24-23(21-8-4-3-5-9-21)26-18-28(24)14-13-27-12-6-7-20(16-27)17-29/h3-5,8-11,15,18,20,29H,2,6-7,12-14,16-17H2,1H3
• InChIKey: PPFDPRDXZMTMJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{2-[5-(5-ethylpyridin-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-3-yl)methanol
• IUPAC Traditional name: (1-{2-[5-(5-ethylpyridin-2-yl)-4-phenylimidazol-1-yl]ethyl}piperidin-3-yl)methanol
• Synonyms: (1-{2-[5-(5-ethylpyridin-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-3-yl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.431463
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.27797964
• LogD (pH = 7.4): 1.7778772
• Log P: 3.6437836
• Molar Refractivity: 117.2633 cm^3
• Polarizability: 47.924835 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.12
• LOG S: -3.71
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 7